N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide

C22H19ClF3N3O2 — CID 68686216

IUPACN-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
SMILESCCc1nccc(NC(=O)CCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1Cl
InChIInChI=1S/C22H19ClF3N3O2/c1-2-17-21(23)18(11-12-27-17)29-19(30)9-5-14-3-7-16(8-4-14)31-20-10-6-15(13-28-20)22(24,25)26/h3-4,6-8,10-13H,2,5,9H2,1H3,(H,27,29,30)
InChIKeyDMGXHJDDZDYXKU-UHFFFAOYSA-N
MW449.86 g/mol
LogP6.07
Rot. Bonds7

About N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide

N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide (PubChem CID 68686216) has the molecular formula C22H19ClF3N3O2 and a molecular weight of 449.86 g/mol. Its IUPAC name is N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
PubChem CID68686216
Molecular FormulaC22H19ClF3N3O2
Molecular Weight449.86 g/mol
Exact Mass449.11
IUPAC NameN-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide
SMILESCCc1nccc(NC(=O)CCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1Cl
InChIInChI=1S/C22H19ClF3N3O2/c1-2-17-21(23)18(11-12-27-17)29-19(30)9-5-14-3-7-16(8-4-14)31-20-10-6-15(13-28-20)22(24,25)26/h3-4,6-8,10-13H,2,5,9H2,1H3,(H,27,29,30)
InChIKeyDMGXHJDDZDYXKU-UHFFFAOYSA-N
XLogP6.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.86
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide with MolForge

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Related Compounds

N-(5-chloro-6-ethylpyrimidin-4-yl)-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]methanesulfinamide
CID 155471230
N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531882
5-chloro-6-ethyl-N-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131349
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131355
methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176606
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
butyl 2-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanoate
CID 150451015
5-chloro-1-methyl-3-(trifluoromethyl)-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]pyrazole-4-carboxamide
CID 123729320
2-hydroxy-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]butanenitrile
CID 122698282

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide (CID 68686216) is N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide is CCc1nccc(NC(=O)CCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1Cl.
What is the InChIKey of N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is DMGXHJDDZDYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O2/c1-2-17-21(23)18(11-12-27-17)29-19(30)9-5-14-3-7-16(8-4-14)31-20-10-6-15(13-28-20)22(24,25)26/h3-4,6-8,10-13H,2,5,9H2,1H3,(H,27,29,30).
What are the key properties of N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide?
N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 449.86 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-ethyl-4-pyridinyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 68686216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).